| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 26th, 2007 | 28 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.82 | 5.5 | -58.91 | 1 | 6 | -1 | 90 | 441.312 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 4.38 | -21.05 | 2 | 6 | 0 | 87 | 442.32 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | -4.17 | -19.84 | 1 | 6 | 0 | 83 | 442.32 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | 3.24 | -6.47 | 0 | 4 | 0 | 35 | 248.326 | 3 | ↓ |
